REMARK  Name = BDB033071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068   0.193   0.621  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.047  -0.795   0.954  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.156   0.057   1.292  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.696   1.257   1.829  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.355   2.073   2.451  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.207   1.346   1.591  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.483   1.568   0.157  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.516   0.376   0.428  0.00  0.00    +0.245 C 
ATOM      9  N   LIG    1        1.402  -0.378   0.743  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.495  -1.386   0.694  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.798  -0.367   0.429  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.684  -0.321  -0.674  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.872  -1.071  -0.552  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1        6.776  -1.075  -1.606  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        6.543  -0.360  -2.783  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.377   0.380  -2.917  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        6.172  -1.792   0.539  0.00  0.00    -0.235 NA
ATOM     18  C   LIG    1        5.301  -1.784   1.565  0.00  0.00    +0.131 A 
ATOM     19 CL   LIG    1        5.780  -2.727   2.914  0.00  0.00    -0.062 Cl
ATOM     20  C   LIG    1        4.453   0.400  -1.874  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.109  -1.103   1.571  0.00  0.00    +0.053 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -3.462  -0.478   1.618  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.575   0.225   0.867  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -4.777   0.071  -0.525  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.833   0.772  -1.143  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -6.675   1.605  -0.407  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.471   1.760   0.958  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.430   1.080   1.588  0.00  0.00    +0.006 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.879  -0.789  -1.384  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1       -3.618  -2.011  -0.839  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.403  -1.057  -2.616  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.664  -0.221  -1.624  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5